2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride

C12H25ClN2O — CID 119488190

IUPAC2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)C(C)C)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)10(3)12(15)14-7-5-6-11(8-14)13-4;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyOCQWMTHKSWABQZ-UHFFFAOYSA-N
MW248.80 g/mol
LogP1.91
Rot. Bonds3

About 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride

2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119488190) has the molecular formula C12H25ClN2O and a molecular weight of 248.80 g/mol. Its IUPAC name is 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119488190
Molecular FormulaC12H25ClN2O
Molecular Weight248.80 g/mol
Exact Mass248.17
IUPAC Name2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCNC1CCCN(C(=O)C(C)C(C)C)C1.Cl
InChIInChI=1S/C12H24N2O.ClH/c1-9(2)10(3)12(15)14-7-5-6-11(8-14)13-4;/h9-11,13H,5-8H2,1-4H3;1H
InChIKeyOCQWMTHKSWABQZ-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.80
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
1-[(3S)-3-hydroxypiperidin-1-yl]-2,3-dimethylbutan-1-one
CID 107224947
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
(3S)-3-(methylamino)-N-propan-2-ylpiperidine-1-carboxamide
CID 94475900
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-phenylsulfanylbutan-1-one;hydrochloride
CID 119490553
1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one
CID 119489018
cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
2,2,4-trimethyl-1-[3-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119489879
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-(4-bromophenoxy)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119493382
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride (CID 119488190) is 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride is CNC1CCCN(C(=O)C(C)C(C)C)C1.Cl.
What is the InChIKey of 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is OCQWMTHKSWABQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.ClH/c1-9(2)10(3)12(15)14-7-5-6-11(8-14)13-4;/h9-11,13H,5-8H2,1-4H3;1H.
What are the key properties of 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride?
2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 248.80 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119488190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).